4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide

C18H21FN2O2S — CID 56890613

IUPAC4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2S/c1-20-24(22,23)17-10-4-14(5-11-17)13-21-12-2-3-18(21)15-6-8-16(19)9-7-15/h4-11,18,20H,2-3,12-13H2,1H3
InChIKeyFKVJUHBNFMYMJQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.07
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide

4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 56890613) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID56890613
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2S/c1-20-24(22,23)17-10-4-14(5-11-17)13-21-12-2-3-18(21)15-6-8-16(19)9-7-15/h4-11,18,20H,2-3,12-13H2,1H3
InChIKeyFKVJUHBNFMYMJQ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 50982110
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
3-ethyl-5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole
CID 124756604
N-methyl-4-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]benzenesulfonamide
CID 59466130
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 77094517
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(4-methoxyphenyl)azepane
CID 112803307
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 146419289

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide (CID 56890613) is 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CN2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is FKVJUHBNFMYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-20-24(22,23)17-10-4-14(5-11-17)13-21-12-2-3-18(21)15-6-8-16(19)9-7-15/h4-11,18,20H,2-3,12-13H2,1H3.
What are the key properties of 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide?
4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 348.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 56890613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).